1-propan-2-ylpyridin-1-ium-4-carboxamide bromide

Systemtic Name: 1-propan-2-ylpyridin-1-ium-4-carboxamide bromide Openeye Name: 1-isopropylpyridin-1-ium-4-carboxamide bromide CAS Name: 1-propan-2-yl-4-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-propan-2-ylpyridin-1-ium-4-carboxamide bromide Traditional Name: 1-isopropylpyridin-1-ium-4-carboxamide bromide Formula: C9H13BrN2O MolecularWeight: 245.11632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CC=C(C=C1)C(=O)N.[Br-]

Isomeric SMILES

CC(C)[N+]1=CC=C(C=C1)C(=O)N.[Br-]

InChI

InChI=1S/C9H12N2O.BrH/c1-7(2)11-5-3-8(4-6-11)9(10)12;/h3-7H,1-2H3,(H-,10,12);1H